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9,10[1',2']-Benzenoanthracene-1,8-dicarboxylic acid, 13-chloro-9,10-dihydro-, dimethyl ester
SpectraBase Compound ID 5jMROMOt7hh
InChI InChI=1S/C24H17ClO4/c1-28-23(26)15-9-3-6-12-18-13-7-4-10-16(24(27)29-2)20(13)22(19(12)15)21-14(18)8-5-11-17(21)25/h3-11,18,22H,1-2H3/t18-,22+
InChIKey OXAZSSKQIXNSEJ-CXGRPWHSSA-N
Mol Weight 404.85 g/mol
Molecular Formula C24H17ClO4
Exact Mass 404.081537 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9aBCuIfHPKd
Name 9,10[1',2']-Benzenoanthracene-1,8-dicarboxylic acid, 13-chloro-9,10-dihydro-, dimethyl ester
Alternate Name(s) 1,8-bis(methoxycarbonyl)-13-chlorotriptycene Dimethyl 16-chloropentacyclo[6.6.6.0(2,7).0(9,14).0(15,20)]icosa-2,4,6,9,11,13,15,17,19-nonaene-3,13-dicarboxylate
CAS Registry Number 103259-14-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C24H17ClO4
InChI InChI=1S/C24H17ClO4/c1-28-23(26)15-9-3-6-12-18-13-7-4-10-16(24(27)29-2)20(13)22(19(12)15)21-14(18)8-5-11-17(21)25/h3-11,18,22H,1-2H3/t18-,22+
InChIKey OXAZSSKQIXNSEJ-CXGRPWHSSA-N
Molecular Weight 404.849 g/mol
SMILES [C@]12(c3c(cccc3C(=O)OC)[C@@](c3c1c(Cl)ccc3)(c1c2c(C(=O)OC)ccc1)[H])[H]
SPLASH splash10-0f79-2579400000-c22611247c06ac57cdc2
Source of Spectrum J-51-3313-13
Wiley ID 1371383